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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 5 (MC5R)' and Ligand = 'BDBM50389777'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50389777
PNG
(CHEMBL2070250)
Show SMILES CCCC[C@H](NC(=O)[C@@H](N)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O
Show InChI InChI=1S/C90H139N27O20/c1-2-3-28-64(82(128)109-67-35-37-76(122)97-38-23-22-30-63(79(93)125)105-86(132)69(45-57-48-100-62-29-21-20-27-60(57)62)110-83(129)65(31-24-39-99-90(94)95)107-85(131)68(44-56-25-16-15-17-26-56)112-88(134)72-47-59(119)52-117(72)89(67)135)106-80(126)61(91)50-102-81(127)70(46-58-49-96-55-103-58)111-84(130)66(34-36-73(92)120)108-87(133)71(53-118)104-77(123)51-101-78(124)54-137-43-42-136-41-40-98-75(121)33-19-14-12-10-8-6-4-5-7-9-11-13-18-32-74-113-115-116-114-74/h15-17,20-21,25-27,29,48-49,55,59,61,63-72,100,118-119H,2-14,18-19,22-24,28,30-47,50-54,91H2,1H3,(H2,92,120)(H2,93,125)(H,96,103)(H,97,122)(H,98,121)(H,101,124)(H,102,127)(H,104,123)(H,105,132)(H,106,126)(H,107,131)(H,108,133)(H,109,128)(H,110,129)(H,111,130)(H,112,134)(H4,94,95,99)(H,113,114,115,116)/t59-,61+,63+,64+,65+,66+,67+,68-,69+,70+,71+,72+/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
40n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor human MC5 expressed in BHK570 cells after 1 hr in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair